SCHEMBL4309808

SCHEMBL4309808

CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCCN3CCCCC3)cc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4318208 0.99 AVPR1B (0.98) AVPR1B
SCHEMBL4310820 0.91 AVPR1B (1.00) AVPR1B
SCHEMBL4308522 0.91 AVPR1B (1.00) AVPR1B
SCHEMBL4307515 0.90 AVPR1B (1.00) AVPR1B
SCHEMBL8016403 0.90 AVPR1B (1.00) AVPR1B
Hydrochloric Acid SCHEMBL4308742 0.90 AVPR1B (0.98) AVPR1B
SCHEMBL4309966 0.90 AVPR1B (1.00) AVPR1B
SCHEMBL4302701 0.90 AVPR1B (1.00) AVPR1B
SCHEMBL4308314 0.89 AVPR1B (1.00) AVPR1B
SCHEMBL4308464 0.88 AVPR1B (0.79) AVPR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed